General Information of the Compound
| Compound ID |
CP0918409
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| Compound Name |
4-Benzoyl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-benzamide oxalic acid
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| Structure |
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| Formula |
C31H35N3O7
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| Molecular Weight |
561.635
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C29H33N3O3.C2H2O4/c1-35-27-12-6-5-11-26(27)32-21-19-31(20-22-32)18-8-7-17-30-29(34)25-15-13-24(14-16-25)28(33)23-9-3-2-4-10-23;3-1(4)2(5)6/h2-6,9-16H,7-8,17-22H2,1H3,(H,30,34);(H,3,4)(H,5,6)
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| InChIKey |
SPSPDRQKUPJAQN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor